(2Z,5E)-2,5-bis[[(2S)-oxolan-2-yl]methylidene]cyclopentan-1-one
Formula:C15H20O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,5E)-2,5-bis[[(2S)-oxolan-2-yl]methylidene]cyclopentan-1-one is a drug-like molecule.
| MolName | (2Z,5E)-2,5-bis[[(2S)-oxolan-2-yl]methylidene]cyclopentan-1-one |
| MolecularFormula | C15H20O3 |
| Smiles | O=C(/C(/CC1)=C/[C@H]2OCCC2)/C1=C\[C@H]1OCCC1 |
| InChI | InChI=1S/C15H20O3/c16-15-11(9-13-3-1-7-17-13)5-6-12(15)10-14-4-2-8-18-14/h9-10,13-14H,1-8H2/t13-,14-/m0/s1 |
| InChIK | XVSALPHMDLRPHB-KBPBESRZSA-N |
| TotalMolweight | 248.321 |
| Molweight | 248.321 |
| MonoisotopicMass | 248.141245 |
| CLogP | 2.0502 |
| CLogS | -2.634 |
| H Acceptors | 3 |
| TotalSurfaceArea | 195.25 |
| Relative PSA | 0.16922 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -0.88841 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Sp3Atoms | 12 |
| StereoCon | this enantiomer |
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